Hexacyclinol

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Hexacyclinol

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Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Hexacyclinol
First synonym: None
Synonyms: Hexacyclinol,(+)-Hexacyclinol,Hexacyclinol [MI],UG4YWN1CPX,UNII-UG4YWN1CPX,903574-41-4,(1aS,2aS,3S,5aS,6aS,7R,7aS,7bS,8R,8aS,10R)-7-Hydroxy-3-(1-methoxy-1-methylethyl)-10-(2-methyl-1-propenyl)-1a,5a,6a,7,7a,7b,8,8a-octahydro-2H-8,2a-(epoxymethano)phenanthro(2,3-b:6,7-b')bisoxirene-2,5(3H)-dione,(2aS,3R,5aR,6aS,7R,8R,8aS,10R)-7-Hydroxy-3-(1-methoxy-1-methylethyl)-10-(2-methylprop-1-en-1-yl)-1a,5a,6a,7,7a,7b,8,8a-octahydro-2H-8,2a-(epoxymethano)phenanthro(2,3-b:6,7-b')bisoxirene-2,5(3H)-dione,2H-8,2a-(Epoxymethano)phenanthro(2,3-b:6,7-b')bisoxirene-2,5(3H)-dione, 1a,5a,6a,7,7a,7b,8,8a-octahydro-7-hydroxy-3-(1-methoxy-1-methylethyl)-10-(2-methyl-1-propen-1-yl)-, (1aS,2aS,3S,5aS,6aS,7R,7aS,7bS,8R,8aS,10R)-,DTXSID101029628,Q10860972,(1S,2S,6S,8S,9R,10S,11S,12R,13S,15S,17R)-9-hydroxy-2-(2-methoxypropan-2-yl)-17-(2-methylprop-1-enyl)-7,14,18-trioxahexacyclo[10.4.2.01,11.04,10.06,8.013,15]octadec-3-ene-5,16-dione

Smiles: CC(=CC1C23C(C=C4C(C2C(O1)C5C(C3=O)O5)C(C6C(C4=O)O6)O)C(C)(C)OC)C
Isomeric smiles: CC(=C[C@@H]1[C@@]23[C@H](C=C4[C@H]([C@@H]2[C@@H](O1)[C@H]5[C@@H](C3=O)O5)[C@H]([C@H]6[C@@H](C4=O)O6)O)C(C)(C)OC)C
Inchi: InChI=1S/C23H28O7/c1-8(2)6-11-23-10(22(3,4)27-5)7-9-12(15(25)18-17(29-18)14(9)24)13(23)16(28-11)19-20(30-19)21(23)26/h6-7,10-13,15-20,25H,1-5H3/t10-,11-,12-,13-,15-,16-,17-,18+,19+,20+,23+/m1/s1
Inchikey: PFZFRWWDGXFULQ-NHFKQXEKSA-N

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